2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide

C15H16N4O2 — CID 661342

IUPAC2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16N4O2/c16-14(20)13-10-12(11-4-2-1-3-5-11)17-15(18-13)19-6-8-21-9-7-19/h1-5,10H,6-9H2,(H2,16,20)
InChIKeyWDUCGVYKFCPBIQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.08
Rot. Bonds3

About 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide

2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide (PubChem CID 661342) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide
PubChem CID661342
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16N4O2/c16-14(20)13-10-12(11-4-2-1-3-5-11)17-15(18-13)19-6-8-21-9-7-19/h1-5,10H,6-9H2,(H2,16,20)
InChIKeyWDUCGVYKFCPBIQ-UHFFFAOYSA-N
XLogP1.08
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide (CID 661342) is 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide?
The InChIKey is WDUCGVYKFCPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-14(20)13-10-12(11-4-2-1-3-5-11)17-15(18-13)19-6-8-21-9-7-19/h1-5,10H,6-9H2,(H2,16,20).
What are the key properties of 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide?
2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 661342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).